N-Methyl-1,2-diaziridino-Py-tetrahydro-isochinolin | 92971-64-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: N-Methyl-1,2-diaziridino-Py-tetrahydro-isochinolin
• 英文别名: 1-methyl-1,3,4,8b-tetrahydro[1,2]diazirino[3,1-a]isoquinoline；1-methyl-1,3,4,8b-tetrahydro-diazirino[3,1-a]isoquinoline；1-Methyl-1,3,4,8b-tetrahydro[1,2]diazirino[3,1-a]isoquinoline；1-methyl-4,8b-dihydro-3H-diazirino[3,1-a]isoquinoline
• CAS: 92971-64-7
• 化学式: C₁₀H₁₂N₂
• 分子量: 160.219
• InChiKey: CQQFHPAVZFEASJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-Methyl-1,2-diaziridino-Py-tetrahydro-isochinolin 以 邻二甲苯 为溶剂， 反应 10.0h， 生成 N-[3,4-dihydro-2(1H)-isoquinolinyl]-N-methyleneamine
  参考文献：
  名称：

  Thermal opening of the diaziridine fragment in 1-methyl-and 1,3,3-trimethyl-1,3,4,8b-tetrahydro-[1,2]diazirino[3,1-a]isoquinolines in the presence of n-arylmaleimides

  摘要：

  The thermal opening of the diaziridine ring in 1-methyl- and 1,3,3-trimethyl-1,3,4,8b-tetra-hydro[1,2]diazirino[3,1-a]isoquinolines in the presence of N-arylmaleimides leads to the predominant or exclusive formation of the trans isomers of the products of 1,3-dipolar cycloaddition. In the absence of dipolarophile, the conversion of the starting diaziridines is incomplete over the same time period, while the thermolysis products are N-[3,4-dihydro-2(1H)-isoquinolyl]-and N-[3,3-dimethyl-3,4-di-hydro-2(1H)-isoquinolyl]-N-methyleneamines formed as the result of isomerization of intermediate labile azomethineimines.

  DOI：

  10.1007/s10593-008-0122-5

文献信息

• Schmitz,E., Justus Liebigs Annalen der Chemie, 1960, vol. 635, p. 73 - 82
  作者：Schmitz,E.

  DOI：——

  日期：——
• Thermal opening of the diaziridine fragment in 1-methyl-and 1,3,3-trimethyl-1,3,4,8b-tetrahydro-[1,2]diazirino[3,1-a]isoquinolines in the presence of n-arylmaleimides
  作者：Yu. B. Koptelov、S. P. Saik、A. P. Molchanov

  DOI：10.1007/s10593-008-0122-5

  日期：2008.7

  The thermal opening of the diaziridine ring in 1-methyl- and 1,3,3-trimethyl-1,3,4,8b-tetra-hydro[1,2]diazirino[3,1-a]isoquinolines in the presence of N-arylmaleimides leads to the predominant or exclusive formation of the trans isomers of the products of 1,3-dipolar cycloaddition. In the absence of dipolarophile, the conversion of the starting diaziridines is incomplete over the same time period, while the thermolysis products are N-[3,4-dihydro-2(1H)-isoquinolyl]-and N-[3,3-dimethyl-3,4-di-hydro-2(1H)-isoquinolyl]-N-methyleneamines formed as the result of isomerization of intermediate labile azomethineimines.